N-(4-chlorophenyl)-7-morpholin-4-yl-2-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidin-4-amine

Systemtic Name: N-(4-chlorophenyl)-7-morpholin-4-yl-2-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-N-(4-chlorophenyl)-7-morpholino-pyrimido[4,5-d]pyrimidin-4-amine CAS Name: N-(4-chlorophenyl)-7-(4-morpholinyl)-2-(phenylmethylthio)-4-pyrimido[4,5-d]pyrimidinamine IUPAC Name: 2-benzylsulfanyl-N-(4-chlorophenyl)-7-morpholin-4-ylpyrimido[4,5-d]pyrimidin-4-amine Traditional Name: [2-(benzylthio)-7-morpholino-pyrimido[4,5-d]pyrimidin-4-yl]-(4-chlorophenyl)amine Formula: C23H21ClN6OS MolecularWeight: 464.97044

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C3C(=N2)N=C(N=C3NC4=CC=C(C=C4)Cl)SCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC=C3C(=N2)N=C(N=C3NC4=CC=C(C=C4)Cl)SCC5=CC=CC=C5

InChI

InChI=1S/C23H21ClN6OS/c24-17-6-8-18(9-7-17)26-20-19-14-25-22(30-10-12-31-13-11-30)27-21(19)29-23(28-20)32-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,25,26,27,28,29)